Is conformation a fundamental descriptor in QSAR? A case for halogenated anesthetics

• Maria C. Guimarães,
• Mariene H. Duarte,
• Josué M. Silla and
• Matheus P. Freitas

Beilstein J. Org. Chem. 2016, 12, 760–768, doi:10.3762/bjoc.12.76

• (steric and electrostatic) and attractive non-Lewis-type (hyperconjugation) contributions, the main factor governing the conformational stabilization of isoflurane comes from the more classical steric and dipolar interactions, likewise sevoflurane reported earlier [17]. It has been proposed that

Conjugates of methylated cyclodextrin derivatives and hydroxyethyl starch (HES): Synthesis, cytotoxicity and inclusion of anaesthetic actives

• Lisa Markenstein,
• Antje Appelt-Menzel,
• Marco Metzger and
• Gerhard Wenz

Beilstein J. Org. Chem. 2014, 10, 3087–3096, doi:10.3762/bjoc.10.325

• ; occupancy; polymer; sevoflurane; solubility; starch; Introduction Cyclodextrins (CDs), α(1→4) linked cyclic oligomers of anhydroglucose, are produced nowadays in industrial scale [1]. CDs are able to complex hydrophobic or amphiphilic guest molecules in aqueous phase [2]. β-CD, the seven membered ring

• conjugation of azido-functionalized methylated β-CD derivatives to propargylated HES, the evaluation of the toxicity of these new polymers and first binding studies for the hydrophobic anaesthetic ingredients sevoflurane and midazolam. Sevoflurane, currently applied as an inhalation anaesthetic [36], could be

• already highly toxic at the clinically relevant concentration (see Figure 3). The effect of the culture medium was negligible. Complexation of anaesthetic drugs by CD polymers The complexation of the anaesthetic drug sevoflurane (shown in Scheme 4) by the methylated CDs and CD polymers was quantified by

Synthesis of uniform cyclodextrin thioethers to transport hydrophobic drugs

• Lisa F. Becker,
• Dennis H. Schwarz and
• Gerhard Wenz

Beilstein J. Org. Chem. 2014, 10, 2920–2927, doi:10.3762/bjoc.10.310

• the β-cyclodextrin derivatives exhibit very high binding potentials towards the anaesthetic drugs sevoflurane and halothane. Since the resulting inclusion compounds are highly soluble in water at temperatures ≤37 °C they are good candidates for new aqueous dosage forms which would avoid inhalation

• anaesthesia. Keywords: active pharmaceutical ingredient; binding constant; cyclodextrin; derivatization; gas chromatography; sevoflurane; substitution pattern; Introduction Cyclodextrins (CDs) are cyclic oligomers of α-1,4-linked glucose units. Those CDs consisting of 6, 7, and 8 glucose units are called α

• decrease of their vapour pressure [30]. Therefore we were encouraged to investigate the inclusion of volatile hydrophobic APIs, e.g., sevoflurane, in CD thioethers. Sevoflurane, a versatile inhalational anaesthetic [31], was already included in native CDs and hydroxypropyl-β-CD, but these complexes are